기본 정보
- CAS
1093229-44-7- 표준 SMILES
CC=CC(=O)C(C)=C(C)C(C)C- InChIKey
QWRGOHMKGNCVAC-UHFFFAOYSA-N- 분자식
- C11H18O
- 평균 분자량
- 166.26 g/mol
- 단동위원소 질량
- 166.13576519
이름 및 식별자
- 우선 이름
- 5,6,7-Trimethylocta-2,5-dien-4-one
- IUPAC
- 5,6,7-trimethylocta-2,5-dien-4-one
이름 및 동의어
5,6,7-trimethylocta-2,5-dien-4-oneRefChem:5279442,5-Octadien-4-one, 5,6,7-trimethyl-, (2E)-SCHEMBL154656QWRGOHMKGNCVAC-UHFFFAOYSA-NDTXSID6012969675,6,7-Trimethyl-2,5-octadien-4-one1093229-44-7
데이터베이스 식별자
- CAS
1093229-44-7、358331-95-0- PubChem CID
- 71447274
- DTXSID
DTXSID601296967
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 219
실험 및 물리화학적 성질
Fragrances
Fragrance substance (2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E)-) -> IFRA amendment 51
Fragrance Ingredient (5,6,7-Trimethylocta-2,5-dien-4-one) -> IFRA transparency List
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information5,6,7-trimethylocta-2,5-dien-4-one: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E)-
2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E)-; (2E,5Z)-5,6,7-Trimethylocta-2,5-dien-4-one; 2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E,5Z)-; 2,5-Octadien-4-one, 5,6,7-trimethyl-, (2E,5E)-; (2E,5E)-5,6,7-Trimethylocta-2,5-dien-4-one; Pomarose (commercial name)
IFRA_STD_267.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 3 consumer products that contain 5,6,7-trimethylocta-2,5-dien-4-one in the following categories is provided:
Use ClassificationFragrance Ingredients
Restriction Limits in the Finished Product (%)
0.019 [Products applied to the lips]
0.0057 [Products applied to the axillae]
0.12 [Products applied to the face/body using fingertips]
0.11 [Products related to fine fragrances]
0.027 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.027 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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